1,3,5-trimethyl-2-prop-1-enylbenzene

C12H16 — CID 54520603

IUPAC1,3,5-trimethyl-2-prop-1-enylbenzene
SMILESCC=Cc1c(C)cc(C)cc1C
InChIInChI=1S/C12H16/c1-5-6-12-10(3)7-9(2)8-11(12)4/h5-8H,1-4H3
InChIKeyUTTPSVLHOJHKLA-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.64
Rot. Bonds1

About 1,3,5-trimethyl-2-prop-1-enylbenzene

1,3,5-trimethyl-2-prop-1-enylbenzene (PubChem CID 54520603) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-prop-1-enylbenzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-prop-1-enylbenzene
PubChem CID54520603
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1,3,5-trimethyl-2-prop-1-enylbenzene
SMILESCC=Cc1c(C)cc(C)cc1C
InChIInChI=1S/C12H16/c1-5-6-12-10(3)7-9(2)8-11(12)4/h5-8H,1-4H3
InChIKeyUTTPSVLHOJHKLA-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,5-trimethyl-2-prop-1-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-prop-1-enylbenzene?
The IUPAC name of 1,3,5-trimethyl-2-prop-1-enylbenzene (CID 54520603) is 1,3,5-trimethyl-2-prop-1-enylbenzene.
What is the SMILES notation for 1,3,5-trimethyl-2-prop-1-enylbenzene?
The canonical SMILES for 1,3,5-trimethyl-2-prop-1-enylbenzene is CC=Cc1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-prop-1-enylbenzene?
The InChIKey is UTTPSVLHOJHKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-5-6-12-10(3)7-9(2)8-11(12)4/h5-8H,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-prop-1-enylbenzene?
1,3,5-trimethyl-2-prop-1-enylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-prop-1-enylbenzene is sourced from PubChem (CID 54520603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).